4-Chlorobenzyl 2-benzoylbenzoate
TL;DR: 4-Chlorobenzyl 2-benzoylbenzoate (CAS 475191-68-5) is a chemical compound with molecular formula C21H15ClO3 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 2-benzoylbenzoate
Also Known As: 4-chlorobenzyl 2-benzoylbenzoate, (4-chlorophenyl)methyl 2-benzoylbenzoate, (4-chlorophenyl)methyl 2-(phenylcarbonyl)benzoate
| Molecular Formula | C21H15ClO3 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 4.928 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.07098 |
| Heavy Atoms | 25 |
| Complexity | 886.5294 |
Chemical Identifiers
| CAS Number | 475191-68-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)Cl |
Product Overview
4-Chlorobenzyl 2-benzoylbenzoate (CAS 475191-68-5), with molecular formula C21H15ClO3 and molecular weight 350.07 g/mol. IUPAC: (4-chlorophenyl)methyl 2-benzoylbenzoate.
Chemical Property Profile of 4-Chlorobenzyl 2-benzoylbenzoate
Property Insights of 4-Chlorobenzyl 2-benzoylbenzoate
The XLogP value of 4.928 indicates that 4-Chlorobenzyl 2-benzoylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Chlorobenzyl 2-benzoylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 2-benzoylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorobenzyl 2-benzoylbenzoate?
The CAS number of 4-Chlorobenzyl 2-benzoylbenzoate is 475191-68-5.
What is the molecular formula of 4-Chlorobenzyl 2-benzoylbenzoate?
The molecular formula of 4-Chlorobenzyl 2-benzoylbenzoate is C21H15ClO3.
What is the molecular weight of 4-Chlorobenzyl 2-benzoylbenzoate?
The molecular weight of 4-Chlorobenzyl 2-benzoylbenzoate is 350.07 g/mol.
Where can I buy 4-Chlorobenzyl 2-benzoylbenzoate?
You can request a quote for 4-Chlorobenzyl 2-benzoylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl 2-benzoylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 2-benzoylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.